CID 13327048

Methyl 3-(p-tolyl)oxirane-2-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC1=CC=C(C=C1)C2C(O2)C(=O)OC

InChI

InChI=1S/C11H12O3/c1-7-3-5-8(6-4-7)9-10(14-9)11(12)13-2/h3-6,9-10H,1-2H3

InChIKey

NRVPICMUQWVTEE-UHFFFAOYSA-N

Compound name

methyl 3-(4-methylphenyl)oxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 192.07864 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.085916	139.0
[M+Na]+	215.067858	149.4
[M-H]-	191.071364	147.9
[M+NH4]+	210.112463	152.9
[M+K]+	231.041798	148.5
[M+H-H2O]+	175.075900	132.4
[M+HCOO]-	237.076841	162.2
[M+CH3COO]-	251.092491	186.7
[M+Na-2H]-	213.053306	145.1
[M]+	192.07809142	145.1
[M]-	192.07918858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe